Geometry & MOs

Info

ID:	281754
PubChem CID:	103914314
Reduced:	ON2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	285.143704
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	4.14
IP(EA), eV:	-9.27(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxy-3-(4-nitropyrazol-1-yl)propyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1CCC(CC1)C(C)(C)C

DOS

IR

Vibrations