Geometry & MOs

Info

ID:	165147
PubChem CID:	74505398
Reduced:	N4O5C27H36 (1)
Stoich.:	A4B5C27D36 (1)
Weight, g/mol:	303.207253
ΔH_f, kcal/mol:	-180.56
Dipole, Da:	5.33
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[(4-methoxyphenyl)methyl]-2-methyl-2,3,4,4a,5,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-2-ium-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)N2CCCC(C(C2)NC(=O)C3=CC=C(C=C3)OCCN4CCCC4)O

DOS

IR

Vibrations