Geometry & MOs

Info

ID:	255269
PubChem CID:	103131040
Reduced:	N4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	278.247047
ΔH_f, kcal/mol:	26.11
Dipole, Da:	3.22
IP(EA), eV:	-8.29(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C(C1=NN(C=C1)C)NC)N2CCCC2

DOS

IR

Vibrations