Geometry & MOs

Info

ID:	238514
PubChem CID:	92741693
Reduced:	O4N5C27H39 (1)
Stoich.:	A4B5C27D39 (1)
Weight, g/mol:	482.289306
ΔH_f, kcal/mol:	-159.52
Dipole, Da:	4.75
IP(EA), eV:	-7.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-acetamido-2-butyl-N-cycloheptyl-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@@]2(CN3C4=C(C=C(C=C4)OC)C(=C3C(=O)N2CCN(C)C)NC(=O)C)C

DOS

IR

Vibrations