Geometry & MOs

Info

ID:	76297
PubChem CID:	48424750
Reduced:	N2O5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-166.7
Dipole, Da:	5.48
IP(EA), eV:	-8.26(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN(CCC2=C1)C(=O)C(CC3=CC=CC=C3)NC(=O)OC)OC

DOS

IR

Vibrations