Geometry & MOs

Info

ID:	237620
PubChem CID:	92720042
Reduced:	O2N4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	-22.07
Dipole, Da:	3.6
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)[C@H]2C3=CC=CN3CC(=O)N2C4=CC=C(C=C4)CC5=CC=NC=C5

DOS

IR

Vibrations