Geometry & MOs

Info

ID:	328774
PubChem CID:	126727684
Reduced:	N3O13C21H31 (1)
Stoich.:	A3B13C21D31 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-522.37
Dipole, Da:	8.99
IP(EA), eV:	-9.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-ethyl-7-(2-methoxyethoxy)quinazolin-4-yl]methyl]-N-prop-1-en-2-ylaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1COC(=O)N)C(=O)NCCOCCOCCON)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

DOS

IR

Vibrations