Geometry & MOs

Info

ID:	267212
PubChem CID:	103581347
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	6.43
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-dimethyloxolan-3-yl)amino]-3-(4-nitropyrazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1C(CCO1)(C)NCC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations