Geometry & MOs

Info

ID:	217138
PubChem CID:	85087312
Reduced:	NOC23H29 (1)
Stoich.:	ABC23D29 (1)
Weight, g/mol:	335.064839
ΔH_f, kcal/mol:	-33.14
Dipole, Da:	2.09
IP(EA), eV:	-8.38(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[morpholin-4-yl-[3-(trifluoromethyl)anilino]methylidene]carbamoyl chloride

Drug info:

PubChemData

Smile

CCN1CCC2C(C1)C3=C(C2(C4=C(C=C(C=C4)C)C)O)C=C(C=C3)C

DOS

IR

Vibrations