Geometry & MOs

Info

ID:	363196
PubChem CID:	127310264
Reduced:	N7C21H27 (1)
Stoich.:	A7B21C27 (1)
Weight, g/mol:	376.172225
ΔH_f, kcal/mol:	94.23
Dipole, Da:	4.12
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=NC=C2)N3CCN(CC3)CC4=C(N(N=C4C)C)C

DOS

IR

Vibrations