Geometry & MOs

Info

ID:	236495
PubChem CID:	92713486
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-116.61
Dipole, Da:	2.34
IP(EA), eV:	-8.06(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-(3,5-dimethoxyphenyl)urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)N[C@@H]2CC3=CC=CC=C3OC2)OC

DOS

IR

Vibrations