Geometry & MOs

Info

ID:	25740
PubChem CID:	629828
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	327.137162
ΔH_f, kcal/mol:	-47.8
Dipole, Da:	3.07
IP(EA), eV:	-8.05(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CCN4C3CC(C(C4)C=C)CCO

DOS

IR

Vibrations