Geometry & MOs

Info

ID:	132178
PubChem CID:	51315746
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	390.194343
ΔH_f, kcal/mol:	-60.47
Dipole, Da:	1.93
IP(EA), eV:	-8.58(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

DOS

IR

Vibrations