Geometry & MOs

Info

ID:	365006
PubChem CID:	127316656
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	-129.06
Dipole, Da:	8.06
IP(EA), eV:	-8.95(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3CCCN3C(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations