Geometry & MOs

Info

ID:	394916
PubChem CID:	135024149
Reduced:	ON4C43H50 (1)
Stoich.:	AB4C43D50 (1)
Weight, g/mol:	401.283098
ΔH_f, kcal/mol:	36.71
Dipole, Da:	3.13
IP(EA), eV:	-7.71(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-[5-(2-methylpropyl)pyridin-3-yl]-2-propan-2-ylphenyl]pyridin-3-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2CN(C=C2)C3=C(C=C(C=C3CC(=O)CC4=CC(=CC(=C4N5CN(C=C5)C6=C(C=C(C=C6C)C)C)C)C)C)C)C

DOS

IR

Vibrations