Geometry & MOs

Info

ID:	368823
PubChem CID:	127330556
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-108.41
Dipole, Da:	6.11
IP(EA), eV:	-9.29(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-chromen-4-yl)-1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)COCC3CCOC3

DOS

IR

Vibrations