Geometry & MOs

Info

ID:	196957
PubChem CID:	78900494
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	361.170274
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	4.08
IP(EA), eV:	-8.71(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-fluoroquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC(=O)NCCC(=O)OC)C2CCC3=CC=CC=C23

DOS

IR

Vibrations