Geometry & MOs

Info

ID:	201730
PubChem CID:	79572363
Reduced:	NOC14H29 (1)
Stoich.:	ABC14D29 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	2.86
IP(EA), eV:	-8.8(2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)CCOCCC1CCCC1NC

DOS

IR

Vibrations