Geometry & MOs

Info

ID:	334651
PubChem CID:	127253326
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	389.304228
ΔH_f, kcal/mol:	-37.44
Dipole, Da:	6.57
IP(EA), eV:	-8.26(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations