Geometry & MOs

Info

ID:	395048
PubChem CID:	135024518
Reduced:	N2O3C16H30 (1)
Stoich.:	A2B3C16D30 (1)
Weight, g/mol:	165.15175
ΔH_f, kcal/mol:	-175.42
Dipole, Da:	4.56
IP(EA), eV:	-9.45(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S)-2-isocyano-4-methyl-1-propan-2-ylcyclohexane

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@H](C1)NC(=O)CN(C)CC(=O)OC)C(C)C

DOS

IR

Vibrations