Geometry & MOs

Info

ID:	38055
PubChem CID:	8026676
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	422.219215
ΔH_f, kcal/mol:	-146.42
Dipole, Da:	5.69
IP(EA), eV:	-8.7(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)N[C@H](C2=CC3=C(C=C2)OCCCO3)C(C)C)C

DOS

IR

Vibrations