Geometry & MOs

Info

ID:	359060
PubChem CID:	127297304
Reduced:	FN3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	370.171751
ΔH_f, kcal/mol:	17.53
Dipole, Da:	8.38
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-4-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]quinazoline

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=NC(=NC3=CC=CC=C32)C(F)F)C4=NN=CC=C4

DOS

IR

Vibrations