Geometry & MOs

Info

ID:	298435
PubChem CID:	117649448
Reduced:	O9C38H46 (1)
Stoich.:	A9B38C46 (1)
Weight, g/mol:	305.199094
ΔH_f, kcal/mol:	-329.2
Dipole, Da:	9.62
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-1-(3-methylphenyl)-2-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC1=C(C(=C2C(=C1O)C(=O)C34C(O3)C5CC6C4(O2)C(C5=O)(OC6(C)C)C/C=C(\C)/C(=O)O)CC=C(C)C)O)/C)C

DOS

IR

Vibrations