Geometry & MOs

Info

ID:	287900
PubChem CID:	104298071
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-31.18
Dipole, Da:	3.55
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-(2-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCCN(C)C)C#CCCO

DOS

IR

Vibrations