Geometry & MOs

Info

ID:	196727
PubChem CID:	78870412
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	403.170748
ΔH_f, kcal/mol:	-1.24
Dipole, Da:	5.45
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(difluoromethoxy)phenyl]methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=CC(=C2)CNC(=O)N3CCN(CC3)C4=C(C=CC=N4)C#N

DOS

IR

Vibrations