Geometry & MOs

Info

ID:	135838
PubChem CID:	51943575
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	336.128549
ΔH_f, kcal/mol:	-83.12
Dipole, Da:	2.78
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea

Drug info:

PubChemData

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CC[C@@H](C)NC(=O)CN1CCN(CC1)C(=O)C2=C(C=CO2)C3=CC=CC=C3

DOS

IR

Vibrations