Geometry & MOs

Info

ID:	39902
PubChem CID:	8143173
Reduced:	PCl2N3C20H32 (1)
Stoich.:	AB2C3D20E32 (1)
Weight, g/mol:	374.219215
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	9.27
IP(EA), eV:	-7.55(0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butyl-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)(C)P(=NC1=C(C=C(C=C1)Cl)Cl)(N2CCCCC2)N3CCCCC3

DOS

IR

Vibrations