Geometry & MOs

Info

ID:	325924
PubChem CID:	126685608
Reduced:	O5N6C31H34 (1)
Stoich.:	A5B6C31D34 (1)
Weight, g/mol:	419.2613
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	4.15
IP(EA), eV:	-8.22(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-4-(4-phenylphenyl)-N-propan-2-ylaniline

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C=CC=C1N2CCN3C4=C(CCCC4)C=C3C2=O)C5=CN(C(=O)C(=C5)NC6=NN(C=C6)CCO)C

DOS

IR

Vibrations