Geometry & MOs

Info

ID:	378671
PubChem CID:	134224765
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	184.157563
ΔH_f, kcal/mol:	-1.88
Dipole, Da:	6.7
IP(EA), eV:	-7.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-[(E)-2-ethyl-3,3-dimethylbut-1-enyl]carbamimidate

Drug info:

PubChemData

Smile

CCC1(C(CC(C2=C1NC=C3N2C(=O)C(=N3)C/C(=C/C#C)/OC)C)C)C

DOS

IR

Vibrations