Geometry & MOs

Info

ID:	75981
PubChem CID:	48424253
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	403.170748
ΔH_f, kcal/mol:	-66.66
Dipole, Da:	3.31
IP(EA), eV:	-8.56(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(3,5-difluoro-4-pyrrolidin-1-ylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C1CC1)N(C)C)OCC2CC2

DOS

IR

Vibrations