Geometry & MOs

Info

ID:	190130
PubChem CID:	77959081
Reduced:	NO4C27H51 (1)
Stoich.:	AB4C27D51 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-272.67
Dipole, Da:	5.95
IP(EA), eV:	-9.77(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]pentanenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC=C(C)C(C1(COC(N1C(=O)O)(C)C)C(C)(C)C)O

DOS

IR

Vibrations