Geometry & MOs

Info

ID:	89439
PubChem CID:	49961726
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	374.0266
ΔH_f, kcal/mol:	-104.53
Dipole, Da:	3.74
IP(EA), eV:	-8.72(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC2=C(C1C3=CC=CO3)C=CC(=C2)N)N

DOS

IR

Vibrations