Geometry & MOs

Info

ID:	147213
PubChem CID:	53786867
Reduced:	ON2C24H36 (1)
Stoich.:	AB2C24D36 (1)
Weight, g/mol:	357.147727
ΔH_f, kcal/mol:	-58.05
Dipole, Da:	4.47
IP(EA), eV:	-9.57(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)C5=CC=NN5)C)C

DOS

IR

Vibrations