Geometry & MOs

Info

ID:	363256
PubChem CID:	127310397
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	348.17731
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	1.4
IP(EA), eV:	-9.13(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C)CNC(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations