Geometry & MOs

Info

ID:	172574
PubChem CID:	75526250
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	-115.71
Dipole, Da:	7.12
IP(EA), eV:	-9.2(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-3-pyrazol-1-ylpropyl)amino]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC2=C(S1)CCC2)C(=O)CC3C(=O)NC(=O)N3

DOS

IR

Vibrations