Geometry & MOs

Info

ID:	306961
PubChem CID:	125264447
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-74.8
Dipole, Da:	4.76
IP(EA), eV:	-8.72(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,3aR,7aS)-1-[(3-methylphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C[C@@H]([C@H]3[C@@H]2CCCO3)NC(=O)N(C)C

DOS

IR

Vibrations