Geometry & MOs

Info

ID:	187508
PubChem CID:	77581839
Reduced:	O2C21H24 (1)
Stoich.:	A2B21C24 (1)
Weight, g/mol:	404.238768
ΔH_f, kcal/mol:	98.0
Dipole, Da:	2.81
IP(EA), eV:	-8.55(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[amino-[4-(difluoromethoxy)phenyl]-pyridin-3-ylmethyl]piperidin-1-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC1C(=CC2=CC=CC=C2)C(=O)C=C3C1(C(CCC3)O)CC=C

DOS

IR

Vibrations