Geometry & MOs

Info

ID:	363240
PubChem CID:	127310381
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	336.140925
ΔH_f, kcal/mol:	-50.12
Dipole, Da:	5.09
IP(EA), eV:	-8.93(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxoazepan-3-yl)-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NCC(C)(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations