Geometry & MOs

Info

ID:	429150
PubChem CID:	135168941
Reduced:	N3H47C74 (1)
Stoich.:	A3B47C74 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	347.92
Dipole, Da:	1.05
IP(EA), eV:	-8.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-oxo-N-phenylazetidine-2-carboxamide

Drug info:

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations