Geometry & MOs

Info

ID:	238463
PubChem CID:	92741329
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	475.247107
ΔH_f, kcal/mol:	-139.79
Dipole, Da:	4.2
IP(EA), eV:	-8.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CN2C(=CC=C2C(=O)N1C[C@@H]3CCCO3)C4=CC=CO4)C(=O)NC5CCCCCC5

DOS

IR

Vibrations