Geometry & MOs

Info

ID:	238464
PubChem CID:	92741333
Reduced:	N3O4C28H33 (1)
Stoich.:	A3B4C28D33 (1)
Weight, g/mol:	475.247107
ΔH_f, kcal/mol:	-107.65
Dipole, Da:	4.29
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(3-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)N1CC3=CC=CC=C3OC)C4=CC=CO4)C(=O)NC5CCCCCC5

DOS

IR

Vibrations