Geometry & MOs

Info

ID:	373588
PubChem CID:	131317550
Reduced:	BrN3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	243.066221
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	7.15
IP(EA), eV:	-9.29(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-7-chloro-8-methoxy-2,3-dihydrochromen-4-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(N2C(=O)C(=CN=C2N1)C(=O)OC)Br

DOS

IR

Vibrations