Geometry & MOs

Info

ID:	349076
PubChem CID:	127274802
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	364.166604
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	7.54
IP(EA), eV:	-8.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(N2C(=O)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)N=CN5

DOS

IR

Vibrations