Geometry & MOs

Info

ID:	196943
PubChem CID:	78899963
Reduced:	FN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	412.216221
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	2.6
IP(EA), eV:	-8.08(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN(CC2=CC(=CC=C2)F)C3CC3)OC

DOS

IR

Vibrations