Geometry & MOs

Info

ID:	172371
PubChem CID:	75500643
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	5.61
IP(EA), eV:	-8.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(1-methylcycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

C1CC1N2CC(CC2=O)CNC(=O)NCCC3=CC4=CC=CC=C4N3

DOS

IR

Vibrations