Geometry & MOs

Info

ID:	160700
PubChem CID:	57389472
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	386.188881
ΔH_f, kcal/mol:	-91.68
Dipole, Da:	3.28
IP(EA), eV:	-9.11(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[2-(dimethylamino)ethyl]-8-methylsulfanylpyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(=CCC1(C2=CC=CC=C2NC1=O)/C=C/C(=O)OC)C

DOS

IR

Vibrations