Geometry & MOs

Info

ID:	121135
PubChem CID:	50756919
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	2.33
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC3=C(N2CC1(C)C(=O)NC4CCCC4)C=C(C=C3)OC

DOS

IR

Vibrations