Geometry & MOs

Info

ID:	38691
PubChem CID:	8137675
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-116.44
Dipole, Da:	3.81
IP(EA), eV:	-9.03(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)NC1CC1)OC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations