Geometry & MOs

Info

ID:	39910
PubChem CID:	8143185
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	374.219215
ΔH_f, kcal/mol:	-38.06
Dipole, Da:	3.9
IP(EA), eV:	-9.07(0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CCCC1=CC[C@@H](CC1)/C(=N/NC(=O)N)/C)C

DOS

IR

Vibrations