Geometry & MOs

Info

ID:	200220
PubChem CID:	79364153
Reduced:	N4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	271.251129
ΔH_f, kcal/mol:	27.18
Dipole, Da:	6.96
IP(EA), eV:	-9.0(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-heptyloxan-3-yl)methyl]-2-methoxyethanamine

Drug info:

PubChemData

Smile

CC1C(CCN1)C2=NC3=C(N2C(C)(C)C)C=CN=C3

DOS

IR

Vibrations