Geometry & MOs

Info

ID:	345797
PubChem CID:	127270097
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	-9.79
Dipole, Da:	10.04
IP(EA), eV:	-9.24(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-imidazol-1-ylpiperidin-1-yl)-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN2C(=NC=C(C2=O)C(=O)N3CCC(CC3)N4C=CN=C4)C=C1

DOS

IR

Vibrations