Geometry & MOs

Info

ID:	375646
PubChem CID:	134214254
Reduced:	O2N11C21H47 (1)
Stoich.:	A2B11C21D47 (1)
Weight, g/mol:	424.097
ΔH_f, kcal/mol:	-88.86
Dipole, Da:	4.6
IP(EA), eV:	-8.71(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dichlorophenyl)-4-[3-(2H-triazol-4-yl)piperidin-1-yl]quinazoline

Drug info:

PubChemData

Smile

CN(CCCNC(=O)[C@H](CCCCN=C(N)N)N)CCCNC(=O)[C@H](CCCCN=C(N)N)N

DOS

IR

Vibrations