Geometry & MOs

Info

ID:	214129
PubChem CID:	81086985
Reduced:	N2O2C13H26 (1)
Stoich.:	A2B2C13D26 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-123.01
Dipole, Da:	3.13
IP(EA), eV:	-9.27(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-methyl-N-[(3-nitrophenyl)methyl]pentanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N(CCO)C1CCCCC1)CN

DOS

IR

Vibrations