Geometry & MOs

Info

ID:	414514
PubChem CID:	135087473
Reduced:	ClN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	309.195346
ΔH_f, kcal/mol:	-125.49
Dipole, Da:	3.89
IP(EA), eV:	-9.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-(3-pyridin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations