Geometry & MOs

Info

ID:	377041
PubChem CID:	134223077
Reduced:	NC14H26 (2)
Stoich.:	AB14C26 (2)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-79.67
Dipole, Da:	2.38
IP(EA), eV:	-8.67(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S,4S)-3,6-dimethyl-3,4-dihydro-1H-isochromen-4-yl]carbamate

Drug info:

PubChemData

Smile

CCC(CC1CC(C(C1)C2CCCNC2C)C)NCC(C)C3CC(CC3/C=C\C)C

DOS

IR

Vibrations