Geometry & MOs

Info

ID:	206438
PubChem CID:	80250187
Reduced:	BrNOC14H26 (1)
Stoich.:	ABCD14E26 (1)
Weight, g/mol:	317.13543
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	2.46
IP(EA), eV:	-9.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1(CCCC1)CC(C)C)Br

DOS

IR

Vibrations