Geometry & MOs

Info

ID:	31614
PubChem CID:	855936
Reduced:	N3H17C21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	312.137497
ΔH_f, kcal/mol:	120.28
Dipole, Da:	7.0
IP(EA), eV:	-9.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-phenyl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations