Geometry & MOs

Info

ID:	137365
PubChem CID:	52198459
Reduced:	O3N5C18H24 (1)
Stoich.:	A3B5C18D24 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	3.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777608
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=CC=C2NC(=O)NCCC[N+]3=CNC=C3

DOS

IR

Vibrations