Geometry & MOs

Info

ID:	164676
PubChem CID:	74436582
Reduced:	NP2O4C50H58 (1)
Stoich.:	AB2C4D50E58 (1)
Weight, g/mol:	349.225308
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.856854
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(1-methoxy-2-phenacylhexyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)P(C2=CC=CC=C2C([C]3[CH][CH][CH][C]3P(C4=CC(=C(C(=C4)C)OC)C)C5=CC(=C(C(=C5)C)OC)C)N(C)C)C6=CC(=C(C(=C6)C)OC)C

DOS

IR

Vibrations