Geometry & MOs

Info

ID:	159855
PubChem CID:	57288822
Reduced:	N2O5C35H42 (1)
Stoich.:	A2B5C35D42 (1)
Weight, g/mol:	164.079707
ΔH_f, kcal/mol:	-153.32
Dipole, Da:	7.76
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-nitropentane-1,3-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)N(CC(C)C)[C@H]2CC[C@H]3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC(=C)OC(=O)C

DOS

IR

Vibrations