Geometry & MOs

Info

ID:	171876
PubChem CID:	75436393
Reduced:	FO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	4.22
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1CC(=O)N2CCC(C2)C3=CC(=CC=C3)F)C

DOS

IR

Vibrations