Geometry & MOs

Info

ID:	426807
PubChem CID:	135153993
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	195.045092
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	7.73
IP(EA), eV:	-8.89(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(1-isocyanatopropyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations