Geometry & MOs

Info

ID:	359061
PubChem CID:	127297305
Reduced:	F2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	372.187401
ΔH_f, kcal/mol:	6.82
Dipole, Da:	5.14
IP(EA), eV:	-8.85(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-4-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]quinazoline

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)F

DOS

IR

Vibrations