Geometry & MOs

Info

ID:	128662
PubChem CID:	51053746
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	341.142722
ΔH_f, kcal/mol:	-98.1
Dipole, Da:	5.82
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C=CC(=N2)N3CCOCC3

DOS

IR

Vibrations