Geometry & MOs

Info

ID:

403735

PubChem CID:

135061635

Reduced:

N2C20H25 (1)

Stoich.:

A2B20C25 (1)

Weight, g/mol:

449.235479

ΔHf, kcal/mol:

39.67

Dipole, Da:

2.09

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.761235

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl N-[[4-[(R)-phenyl-(4-phenylphenyl)methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2CCC[N+](=C2)C3=C(C=CC=C3C)C

DOS

IR

Vibrations