Geometry & MOs

Info

ID:	289387
PubChem CID:	104348986
Reduced:	BrN2O2C11H19 (1)
Stoich.:	AB2C2D11E19 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-119.63
Dipole, Da:	3.15
IP(EA), eV:	-9.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-(aminomethyl)-2-propylpentanoyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCC(CC1)NC(=O)C)Br

DOS

IR

Vibrations