Geometry & MOs

Info

ID:	369634
PubChem CID:	127334964
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-139.18
Dipole, Da:	1.87
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxycycloheptyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)CCN2C(=O)CSC3=CC=CC=C32)O

DOS

IR

Vibrations