Geometry & MOs

Info

ID:	136831
PubChem CID:	52109114
Reduced:	N4C18H25 (1)
Stoich.:	A4B18C25 (1)
Weight, g/mol:	372.090852
ΔH_f, kcal/mol:	34.32
Dipole, Da:	4.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.093957
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-4-piperidin-1-ylquinazolin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C2=NC3=CC=CC=C3C(=[NH+]2)N4CCCC4

DOS

IR

Vibrations