Geometry & MOs

Info

ID:	121174
PubChem CID:	50757963
Reduced:	N3O3C27H37 (1)
Stoich.:	A3B3C27D37 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-121.02
Dipole, Da:	6.06
IP(EA), eV:	-8.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(=O)C2=CC=C(N2CC1(C)C(=O)NC3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations