Geometry & MOs

Info

ID:	31276
PubChem CID:	855517
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	312.137497
ΔH_f, kcal/mol:	51.59
Dipole, Da:	5.52
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations