Geometry & MOs

Info

ID:	319025
PubChem CID:	126654199
Reduced:	O2N4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-32.39
Dipole, Da:	3.97
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(3Z)-hexa-1,3-dien-2-yl]oxyethyl]carbamate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CO[C@H]2CNC[C@@H]2NC(=O)C3=C(N=CC(=C3)C4=CC=C(C=C4)C)N)C

DOS

IR

Vibrations