Geometry & MOs

Info

ID:	360644
PubChem CID:	127301289
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	4.07
IP(EA), eV:	-9.21(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CNC3(CCOCC3)CO)C=C1

DOS

IR

Vibrations