Geometry & MOs

Info

ID:	365008
PubChem CID:	127316658
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	-26.6
Dipole, Da:	4.59
IP(EA), eV:	-8.59(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-ethyl-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=CN(N=C3)C(C)(C)C

DOS

IR

Vibrations