Geometry & MOs

Info

ID:	159308
PubChem CID:	57269541
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	181.09636
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	5.92
IP(EA), eV:	-9.65(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-carbamimidoylpyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C=CC(=O)CCN[C@@H](CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations