Geometry & MOs

Info

ID:	274137
PubChem CID:	103807271
Reduced:	ClION2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	264.150764
ΔH_f, kcal/mol:	-26.92
Dipole, Da:	3.46
IP(EA), eV:	-9.42(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminopropyl)-N-methyl-2-(3-methylbutylsulfonyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CN)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations