Geometry & MOs

Info

ID:	134022
PubChem CID:	51626415
Reduced:	N4O4C19H27 (1)
Stoich.:	A4B4C19D27 (1)
Weight, g/mol:	360.277678
ΔH_f, kcal/mol:	-59.95
Dipole, Da:	5.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.061157
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-4-benzyl-2,2-dimethyloxan-4-yl]-N-(2-morpholin-4-ylethyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations