Geometry & MOs

Info

ID:	71079
PubChem CID:	48414260
Reduced:	BrON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	45.08
Dipole, Da:	1.47
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Br)C

DOS

IR

Vibrations