Geometry & MOs

Info

ID:	126893
PubChem CID:	50983334
Reduced:	N5C23H25 (1)
Stoich.:	A5B23C25 (1)
Weight, g/mol:	304.201159
ΔH_f, kcal/mol:	104.37
Dipole, Da:	4.99
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)CCN2C=NC(=C2C3=CN=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations