Geometry & MOs

Info

ID:	271186
PubChem CID:	103647127
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-168.77
Dipole, Da:	4.04
IP(EA), eV:	-8.71(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCNCC1=C(C=C(C=C1)O)O)C2CC2

DOS

IR

Vibrations