Geometry & MOs

Info

ID:	258479
PubChem CID:	103154352
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-67.05
Dipole, Da:	5.14
IP(EA), eV:	-9.31(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(1-methylpyrazol-4-yl)butanamide

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)NC(=O)CC(CN)OC

DOS

IR

Vibrations