Geometry & MOs

Info

ID:	186321
PubChem CID:	77420553
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	424.216221
ΔH_f, kcal/mol:	-110.45
Dipole, Da:	6.76
IP(EA), eV:	-9.11(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(dimethylaminomethylidene)-5-[[4-(3-fluorophenyl)phenyl]methyl]-2-oxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C(C2CCC(N2C(=O)O1)CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)CNC)C

DOS

IR

Vibrations