Geometry & MOs

Info

ID:	375647
PubChem CID:	134220214
Reduced:	Cl2N6H18C21 (1)
Stoich.:	A2B6C18D21 (1)
Weight, g/mol:	421.18265
ΔH_f, kcal/mol:	121.82
Dipole, Da:	3.4
IP(EA), eV:	-9.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(1,1-difluoroethyl)phenyl]-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]quinazoline

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC3=CC=CC(=C32)C4=CC(=C(C=C4)Cl)Cl)C5=NNN=C5

DOS

IR

Vibrations