Geometry & MOs

Info

ID:	435380
PubChem CID:	135191339
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-51.52
Dipole, Da:	2.16
IP(EA), eV:	-8.05(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-methyl-3a,4,6,7,8,8a-hexahydro-1H-pyrazolo[4,3-c]azepin-5-yl)butan-1-ol

Drug info:

PubChemData

Smile

CC1C2=C(CCCN(C2)C(C(C)(C)C)O)NN1C

DOS

IR

Vibrations