Geometry & MOs

Info

ID:	398087
PubChem CID:	135031692
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	2.58
IP(EA), eV:	-10.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butylamino(cyclopenta-2,4-dien-1-ylidene)methanol

Drug info:

PubChemData

Smile

C1CN2C(=O)CO[C@]23C=CC(=O)CC3[C@@H]1C=O

DOS

IR

Vibrations