Geometry & MOs

Info

ID:	323490
PubChem CID:	126675011
Reduced:	N4O7C15H30 (1)
Stoich.:	A4B7C15D30 (1)
Weight, g/mol:	654.303499
ΔH_f, kcal/mol:	-331.99
Dipole, Da:	2.37
IP(EA), eV:	-9.46(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CC1[C@@H]([C@@H](C(OC1O[C@@H]2C(CC([C@H](C2O)O)N=C(N)N)N)[C@@H](C)O)O)O

DOS

IR

Vibrations