Geometry & MOs

Info

ID:	237617
PubChem CID:	92720039
Reduced:	BrO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	-55.58
Dipole, Da:	3.22
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-2-[4-(pyridin-4-ylmethyl)phenyl]-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@@H]2C3=CC=CN3CC(=O)N2C4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations