Geometry & MOs

Info

ID:	196815
PubChem CID:	78882086
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	6.4
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(=O)NCC2=CC(=CC=C2)CN3C=CN=C3C)NC(=O)C

DOS

IR

Vibrations