Geometry & MOs

Info

ID:	328183
PubChem CID:	126694492
Reduced:	ON3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	502.355929
ΔH_f, kcal/mol:	49.23
Dipole, Da:	5.88
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclopropylmethyl)-6-methoxy-3,4-dimethyl-3,4,9,9a-tetrahydro-1H-indeno[2,1-c]pyridin-4a-yl]-4-(N-methylanilino)hept-1-en-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=O)/C(=C/C=C)/N(N1)C=C

DOS

IR

Vibrations