Geometry & MOs

Info

ID:	220841
PubChem CID:	85240162
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-128.28
Dipole, Da:	4.92
IP(EA), eV:	-9.49(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-butyl-1-(hydroxymethyl)cyclopropyl]carbamate

Drug info:

PubChemData

Smile

CCCCCC1C(OC(=O)N1)COCC2=CC=CC=C2

DOS

IR

Vibrations