Geometry & MOs

Info

ID:	238515
PubChem CID:	92741703
Reduced:	N4O4C27H38 (1)
Stoich.:	A4B4C27D38 (1)
Weight, g/mol:	494.289306
ΔH_f, kcal/mol:	-172.08
Dipole, Da:	3.22
IP(EA), eV:	-7.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C3=C(N2C[C@@]1(C)C(=O)NC4CCCCCC4)C=CC(=C3)OC)NC(=O)C

DOS

IR

Vibrations