Geometry & MOs

Info

ID:	414576
PubChem CID:	135087535
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-76.78
Dipole, Da:	4.46
IP(EA), eV:	-8.99(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CCC(=O)N(CCO)CC2=CN=C(N2)C)C

DOS

IR

Vibrations