Geometry & MOs

Info

ID:	265643
PubChem CID:	103536527
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	311.08975
ΔH_f, kcal/mol:	-179.38
Dipole, Da:	2.29
IP(EA), eV:	-9.42(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C(=O)NC2=C(N=CC=C2)C(=O)O

DOS

IR

Vibrations