Geometry & MOs

Info

ID:	16000
PubChem CID:	457566
Reduced:	N3C18H29 (1)
Stoich.:	A3B18C29 (1)
Weight, g/mol:	287.236148
ΔH_f, kcal/mol:	-7.99
Dipole, Da:	2.24
IP(EA), eV:	-7.42(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2,3-dimethylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)NC[C@@H]2CCCN3[C@@H]2CCCC3)N

DOS

IR

Vibrations