Geometry & MOs

Info

ID:	393065
PubChem CID:	135019182
Reduced:	N2O2C5H12 (1)
Stoich.:	A2B2C5D12 (1)
Weight, g/mol:	422.24571
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	3.55
IP(EA), eV:	-9.37(1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxyphenyl)methoxy]-1-phenylmethoxydodec-7-yn-6-one

Drug info:

PubChemData

Smile

CC1[C@H]([C@@H](CNN1)O)O

DOS

IR

Vibrations