Geometry & MOs

Info

ID:	406480
PubChem CID:	135077752
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-128.71
Dipole, Da:	5.43
IP(EA), eV:	-9.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)/C(=C/N(C)C)/C(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations