Geometry & MOs

Info

ID:	126459
PubChem CID:	50965615
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	-138.72
Dipole, Da:	4.35
IP(EA), eV:	-8.72(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCC[C@H]2C(=O)N

DOS

IR

Vibrations