Geometry & MOs

Info

ID:	170812
PubChem CID:	75283006
Reduced:	N5O37C57H93 (1)
Stoich.:	A5B37C57D93 (1)
Weight, g/mol:	211.084458
ΔH_f, kcal/mol:	-1488.68
Dipole, Da:	14.45
IP(EA), eV:	-8.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-2-nitropropan-1-ol

Drug info:

Smile

CCN1C2CCCCC2NC3C1C(=O)N(C(=O)N3CC(=O)NCC4C5C(C(C(O4)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(C(C1O)O)OC1C(OC(O5)C(C1O)O)CO)CO)CO)CO)CO)CO)O)O)C

DOS

IR

Vibrations