Geometry & MOs

Info

ID:	84258
PubChem CID:	49865139
Reduced:	N2O7C21H26 (1)
Stoich.:	A2B7C21D26 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	-251.81
Dipole, Da:	5.72
IP(EA), eV:	-9.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)CC(=O)N2OCC(=O)[C@H](CC(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations