Geometry & MOs

Info

ID:	121173
PubChem CID:	50757957
Reduced:	BrOSN4H15C16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	451.283492
ΔH_f, kcal/mol:	36.65
Dipole, Da:	7.57
IP(EA), eV:	-8.79(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=C(N2)C=CC=N3

DOS

IR

Vibrations