Geometry & MOs

Info

ID:	322440
PubChem CID:	126670161
Reduced:	ClON2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	168.162649
ΔH_f, kcal/mol:	20.44
Dipole, Da:	2.1
IP(EA), eV:	-8.53(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3,3-trimethyl-2-N-prop-1-ynylbutane-1,2-diamine

Drug info:

PubChemData

Smile

C=CC1=C(OC[C@@H](N(C1)C2CCNCC2)CC3=CC=C(C=C3)Cl)C=C

DOS

IR

Vibrations