Geometry & MOs

Info

ID:	39950
PubChem CID:	8143250
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	390.214129
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	7.78
IP(EA), eV:	-8.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)CN(CCOC)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations