Geometry & MOs

Info

ID:	38536
PubChem CID:	8137018
Reduced:	NOC4H5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	7.3
IP(EA), eV:	-9.28(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations