Geometry & MOs

Info

ID:	320039
PubChem CID:	126658061
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	561.408299
ΔH_f, kcal/mol:	6.68
Dipole, Da:	2.16
IP(EA), eV:	-8.2(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(4-aminophenyl)-13-phenyl-19-azatetracyclo[11.6.2.04,18.014,19]henicosan-1-yl]methyl]aniline

Drug info:

PubChemData

Smile

CCC1=CC2=C(N1)C=C(C=C2)C(C)C

DOS

IR

Vibrations