Geometry & MOs

Info

ID:	84231
PubChem CID:	49865081
Reduced:	SN2O7H20C22 (1)
Stoich.:	AB2C7D20E22 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	-221.83
Dipole, Da:	5.82
IP(EA), eV:	-9.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)CC2=C3C(=CC=C2)SC=N3

DOS

IR

Vibrations