Geometry & MOs

Info

ID:	39949
PubChem CID:	8143248
Reduced:	ClSN4H11C16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	134.07
Dipole, Da:	4.43
IP(EA), eV:	-8.53(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-2-[2-methoxyethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N/N=C\C3=C(N=C4N3C=CS4)Cl

DOS

IR

Vibrations