Geometry & MOs

Info

ID:	188806
PubChem CID:	77769774
Reduced:	ClN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	351.179421
ΔH_f, kcal/mol:	-119.07
Dipole, Da:	4.23
IP(EA), eV:	-9.35(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-methyl-5-[(3-nitrophenyl)methylamino]-5-oxopentyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(CCNC1=O)C(C2=CC3=C(C=C2)C=CN=C3)Cl

DOS

IR

Vibrations