Geometry & MOs

Info

ID:	334073
PubChem CID:	127252625
Reduced:	O4N6H22C23 (1)
Stoich.:	A4B6C22D23 (1)
Weight, g/mol:	369.278013
ΔH_f, kcal/mol:	-51.16
Dipole, Da:	1.18
IP(EA), eV:	-9.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(cyclopropylmethyl)-3-(2-phenylethyl)urea

Drug info:

PubChemData

Smile

COCC1=NC(=NN1)NC(=O)CCCN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations