Geometry & MOs

Info

ID:	418097
PubChem CID:	135103515
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	66.19
Dipole, Da:	4.96
IP(EA), eV:	-9.07(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-5-[(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCN(CCN1C=CC=N1)CC2CC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations