Geometry & MOs

Info

ID:	126553
PubChem CID:	50967641
Reduced:	N2O3C15H28 (1)
Stoich.:	A2B3C15D28 (1)
Weight, g/mol:	326.129824
ΔH_f, kcal/mol:	-161.57
Dipole, Da:	6.56
IP(EA), eV:	-8.7(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)CN2CC[C@@H](C[C@@H]2C(=O)O)O

DOS

IR

Vibrations