Geometry & MOs

Info

ID:	31383
PubChem CID:	855643
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	318.111676
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	3.55
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-7-methoxy-5-pyridin-3-yl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CO3)C(=O)C)C

DOS

IR

Vibrations