Geometry & MOs

Info

ID:	171582
PubChem CID:	75398254
Reduced:	FO2N6H19C22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	322.06808
ΔH_f, kcal/mol:	4.88
Dipole, Da:	2.58
IP(EA), eV:	-9.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

C1C(N(N=C1C(=O)N(CC2=CC=CC=N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)C(=O)N

DOS

IR

Vibrations