Geometry & MOs

Info

ID:	365092
PubChem CID:	127316834
Reduced:	ClON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	387.182588
ΔH_f, kcal/mol:	25.14
Dipole, Da:	2.9
IP(EA), eV:	-8.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-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)C3=C(N(N=N3)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations