Geometry & MOs

Info

ID:	258575
PubChem CID:	103155314
Reduced:	NO2C6H13 (2)
Stoich.:	AB2C6D13 (2)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-183.35
Dipole, Da:	4.22
IP(EA), eV:	-9.23(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide

Drug info:

PubChemData

Smile

COCCCN(CCOC)C(=O)CC(CN)OC

DOS

IR

Vibrations