Geometry & MOs

Info

ID:	238399
PubChem CID:	92741035
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	461.231456
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	6.69
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclohexyl-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)N1CCOC)C3=CC=CO3)C(=O)NC4CCCCC4

DOS

IR

Vibrations