Geometry & MOs

Info

ID:	180680
PubChem CID:	76668988
Reduced:	ClON6C23H29 (1)
Stoich.:	ABC6D23E29 (1)
Weight, g/mol:	318.074675
ΔH_f, kcal/mol:	12.42
Dipole, Da:	4.77
IP(EA), eV:	-8.5(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloro-4-isocyano-2-methylphenyl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)NC2=NC3=C(N2C)C=CC(=C3)CC(C)C)C4=C(C=CC=N4)Cl

DOS

IR

Vibrations