Geometry & MOs

Info

ID:	43207
PubChem CID:	10319553
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	413.227869
ΔH_f, kcal/mol:	-25.4
Dipole, Da:	4.43
IP(EA), eV:	-8.71(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-difluorophenyl)-N-[1-[3-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)OC)C3=C(C=C(C=C3)C4=NN=C(O4)C)C

DOS

IR

Vibrations