Geometry & MOs

Info

ID:	327212
PubChem CID:	126689230
Reduced:	ON3C18H23 (2)
Stoich.:	AB3C18D23 (2)
Weight, g/mol:	519.32094
ΔH_f, kcal/mol:	-21.4
Dipole, Da:	6.69
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(4-cyclohexylphenyl)-2-[3-(dimethylcarbamoylamino)propyl-methylamino]-4H-quinazolin-4-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC=CC=C1)C2C3=CC=CC=C3N=C(N2C4=CC=C(C=C4)C5CCCCC5)N(C)CCCNC(=O)N(C)C

DOS

IR

Vibrations