Geometry & MOs

Info

ID:	299759
PubChem CID:	117689193
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	360.182476
ΔH_f, kcal/mol:	69.45
Dipole, Da:	6.53
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]-2-(3,3-difluoropiperidin-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)NC(=N3)NCC4CC4)C5=C(ON=C5C)C

DOS

IR

Vibrations